N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H17N3O3 — CID 64912798

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1CCCCC1O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c15-9-4-2-1-3-7(9)5-12-10(16)8-6-13-11(17)14-8/h6-7,9,15H,1-5H2,(H,12,16)(H2,13,14,17)
InChIKeyLBULWAKUSPQSPL-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.02
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 64912798) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID64912798
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1CCCCC1O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c15-9-4-2-1-3-7(9)5-12-10(16)8-6-13-11(17)14-8/h6-7,9,15H,1-5H2,(H,12,16)(H2,13,14,17)
InChIKeyLBULWAKUSPQSPL-UHFFFAOYSA-N
XLogP-0.02
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525325
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 166274757
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 112699653

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 64912798) is N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCC1CCCCC1O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LBULWAKUSPQSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-9-4-2-1-3-7(9)5-12-10(16)8-6-13-11(17)14-8/h6-7,9,15H,1-5H2,(H,12,16)(H2,13,14,17).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 64912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).